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Implications of electrode modifications in aqueous organic redox flow batteries

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Journal of Energy Chemistry 2024年第8期95卷 499-510页

作者： Zahid Manzoor Bhat Mohammad Furquan Muhammad Aurang Zeb Gul Sial Umair Alam Atif Saeed Alzahrani Mohammad Qamar interdisciplinary research center for Hydrogen Technologies and Carbon Management(IRC-HTCM) King Fahd University of Petroleum & Minerals(KFUPM) Department of Materials Science and Engineering King Fahd University of Petroleum and Minerals interdisciplinary research center for Sustainable Energy Systems(IRC-SES) King Fahd University of Petroleum and Minerals

Aqueous organic redox flow batteries(RFBs) exhibit favorable characteristics, such as tunability, multielectron transfer capability, and stability of the redox active molecules utilized as anolytes and catholytes, making them very viable contenders for large-scale grid storage applications. Considerable attention has been paid on the development of efficient redox-active molecules and their performance optimization through chemical substitutions at various places on the backbone as part of the pursuit for high-performance RFBs. Despite the fact that electrodes are vital to optimal performance, they have not garnered significant attention. Limited research has been conducted on the effects of electrode modifications to improve the performance of RFBs. The primary emphasis has been given on the impact of electrode engineering to augment the efficiency of aqueous organic RFBs. An overview of electron transfer at the electrode–electrolyte interface is provided. The implications of electrode modification on the performance of redox flow batteries, with a particular focus on the anodic and cathodic half-cells separately, are then discussed. In each section, significant discrepancies surrounding the effects of electrode engineering are thoroughly examined and discussed. Finally, we have presented a comprehensive assessment along with our perspectives on the future trajectory.

关键词： Electrode modification Organic redox molecules Outer sphere and inner sphere Redox flow batteries

Design of efficient thermoelectric generators

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Science China Materials 2024年第1期67卷 377-378页

作者： Min Liu Yanzhong Pei interdisciplinary Materials research center School of Materials Science and EngineeringTongji UniversityShanghai 201804China

Thermoelectricity,which enables direct conversion between heat and electricity,undergoes impressive developments in recent decades,and is particularly promising for recovering low-grade heat of<600 K[1,2].Currently,only Bi2Te3-based thermoelectric devices are commercialized[3].However,the scarcity of tellurium(Te)(Fig.1a)is the main concern.This leads to numerous recent efforts on the development of efficient nonBi2Te3 thermoelectrics as potential alternatives,and successful examples(Fig.1b)include Mg3Sb2-alloys[2,3]and MgAgSb[1,2].

关键词： enable efficient electricity

Close-packed layer spacing as a practical guideline for structure symmetry manipulation of IV-VI/I-V-VI_(2) thermoelectrics

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InfoMat 2024年第2期6卷 99-106页

作者： Tao Jin Long Yang Xinyue Zhang Wen Li Yanzhong Pei interdisciplinary Materials research center School of Materials Science and EngineeringTongji UniversityShanghaithe People's Republic of China

The crystal-structure symmetry in real space can be inherited in the reciprocal space,making high-symmetry materials the top candidates for thermoelectrics due to their potential for significant electronic band degeneracy.A practical indicator that can quantitatively describe structural changes would help facilitate the advanced thermoelectric material design.In face-centered cubic structures,the spatial environment of the same crystallographic plane family is isotropic,such that the distances between the close-packed layers can be derived from the atomic distances within the layers.Inspired by this,the relationship between inter-and intra-layer geometric information can be used to compare crystal structures with their desired cubic symmetry.The close-packed layer spacing was found to be a practical guideline of crystal structure symmetry in IV-VI chalcogenides and I-V-VI_(2) ternary semiconductors,both of which are historically important thermoelectrics.The continuous structural evolution toward high symmetry can be described by the layer spacing when temperature or/and composition change,which is demonstrated by a series of pristine and alloyed thermoelectric materials in this work.The layerspacing-based guideline provides a quantitative pathway for manipulating crystal structures to improve the electrical and thermal properties of thermoelectric materials.

关键词： phase transition structure manipulation thermoelectric materials x-ray diffraction

Prediction of Ground State Configurations and Electrochemical Properties of Li_(3)InCl_(6) Doped with F, Br, and Ga

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Chinese Physics Letters 2024年第5期41卷 171-176页

作者：鲁征宇陈乐添胡绪陈素雅张旭周震 Department of Materials Science and Engineering Nankai UniversityTianjin 300350China interdisciplinary research center for Sustainable Energy Science and Engineering School of Chemical EngineeringZhengzhou UniversityZhengzhou 450001China

Compared with conventional solid-state electrolytes, halide solid-state electrolytes have several advantages such as a wider electrochemical window, better compatibility with oxide cathode materials, improved air stability,and easier preparation conditions making them conductive to industrial production. We concentrate on a typical halide solid-state electrolyte, Li_(3)InCl_(6), predict the most stable structure after doping with Br, F, and Ga by using the Alloy Theoretic Automated Toolkit based on first-principles calculations, and verify the accuracy of the prediction model. To investigate the potential of three equivalently doped ground state configurations of Li_(3)InCl_(6) as solid-state electrolytes for all-solid-state lithium-ion batteries, their specific properties such as crystal structure,band gap, convex packing energy, electrochemical stability window, and lithium-ion conductivity are computationally analyzed using first-principles calculations. After a comprehensive evaluation, it is determined that the F-doped ground state configuration Li_(3)InCl_(2.5)F_(3.5) exhibits better thermal stability, wider electrochemical stability window, and better lithium ion conductivity(1.80 m S·cm^(-1) at room temperature). Therefore, Li_(3)InCl_(2.5)F_(3.5) has the potential to be used in the field of all-solid-state lithium-ion batteries as a new type of halide electrolyte.

关键词： lithium stability electrolyte

One-step construction of strongly coupled Co_(3)V_(2)O_(8)/Co_(3)O_(4)/MXene heterostructure via in-situ Co-F bonds for high performance all-solid-state asymmetric supercapacitors

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Rare Metals 2024年第2期43卷 682-691页

作者： Ji Zhou Bin-Bin Liu Hu Zheng Wen-Qing Ma Qian Li Cai-Xia Xu Institute for Advanced interdisciplinary research(iAIR) Collaborative Innovation Center of Technology and Equipment for Biological Diagnosis and Therapy in Universities of ShandongSchool of Chemistry and Chemical EngineeringUniversity of JinanJinan250022China

Co_(3)V_(2)O_(8)/Co_(3)O_(4)/Ti_(3)C_(2)T_(x) composite was easily synthesized via one-step succinct-operated hydrothermal process.The interconnected Co_(3)V_(2)O_(8)/Co_(3)O_(4) nanowires network can in-situ grow and anchor on the surface of Ti_(3)C_(2)T_(x) via the strong Co-F bonds and contribute tremendously to depress Ti_(3)C_(2)T_(x) self-restacking.Profiting from the synergistically interplayed effect among the multiple interfaces and high conductivity of Ti_(3)C_(2)T_(x) as well as outstanding stability of the as-designed nanostructure,the optimum Co_(3)V_(2)O_(8)/Co_(3)O_(4)/Ti_(3)C_(2)T_(x)electrode reaches a commendable specific capacitance(up to 3800 mF·cm^(−2)),great rate capability(80%capacitance retention after 20-times current increasing),and preeminent cycling stability(95.4%/85.5%retention at 7000th/20,000th cycle).Moreover,the all-solid-state asymmetric supercapacitor based on Co_(3)V_(2)O_(8)/Co_(3)O_(4)/Ti_(3)C_(2)T_(x) and active carbon can deliver a high energy density of 84.0μWh·cm^(−2) at the power energy of 3.2 mW·cm^(−2),and excellent cycling durability with 87.0%of initial capacitance retention upon 20,000 loops.This work provides a practicable pathway to tailor MXene-based composites for high-performance supercapacitor.

关键词： Ti_(3)C_(2)T_(x) Co_(3)V_(2)O_(8)/Co_(3)O_(4) Heterostructure Cathode Supercapacitor

Two-dimensional semiconductor transistors and integrated circuits for advanced technology nodes

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National Science Review 2024年第3期11卷 11-13页

作者： Weisheng Li Haoliang Shen Hao Qiu Yi Shi Xinran Wang National Laboratory of Solid-State Microstructures School of Electronic Science and Engineering and Collaborative Innovation Center of Advanced Microstructures Nanjing University Suzhou Laboratory The interdisciplinary research center for Future Intelligent Chips(Chip-X) Nanjing University School of Integrated Circuits Nanjing University

Two-dimensional(2D) semiconductors,particularly transition metal dichalcogenides, exhibit high mobility within atomic-scale thickness, immunity to short-channel effects, and back-end-of-the-line(BEOL) compatibility wi...

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An Optimization Approach of IoD Deployment for Optimal Coverage Based on Radio Frequency Model

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Computer Modeling in Engineering & Sciences 2024年第6期139卷 2627-2647页

作者： Tarek Sheltami Gamil Ahmed Ansar Yasar Computer Engineering Department Interdisciplinary Research Center of Smart Mobility and LogisticsKing Fahd University of Petroleum and MineralsDhahran31261Saudi Arabia Transportation research Institute(IMOB) Hasselt UniversityHasselt3500Belgium

Recently,Internet of Drones(IoD)has garnered significant attention due to its widespread applications.However,deploying IoD for area coverage poses numerous limitations and challenges.These include interference between neighboring drones,the need for directional antennas,and altitude restrictions for drones.These challenges necessitate the development of efficient solutions.This research paper presents a cooperative decision-making approach for an efficient IoDdeployment to address these challenges effectively.The primary objective of this study is to achieve an efficient IoDdeployment strategy thatmaximizes the coverage regionwhile minimizing interference between neighboring drones.In deployment problem,the interference increases as the number of deployed drones increases,resulting in bad quality of communication.On the other hand,deploying a few drones cannot satisfy the coverage demand.To accomplish this,an enhanced version of a concise population-based meta-heuristic algorithm,namely Improved Particle SwarmOptimization(IPSO),is applied.The objective function of IPSO is defined based on the coverage probability,which is primarily influenced by the characteristics of the antennas and drone altitude.A radio frequency(RF)model is derived to evaluate the coverage quality,considering both Line of Sight(LOS)and Non-Line of Sight(NLOS)down-link coverage probabilities for ground communication.It is assumed that each drone is equipped with a directional antenna to optimize coverage in a given region.Extensive simulations are conducted to assess the effectiveness of the proposed approach.Results demonstrate that the proposed method achieves maximum coverage with minimum transmission power.Furthermore,a comparison is made against Collaborative Visual Area Coverage Approach(CVACA),and a game-based approach in terms of coverage quality and convergence speed.The simulation results reveal that our approach outperforms both CVACA and the gamebased schemes in terms of coverage and convergence speed.Comparisons validate the sup

关键词： IoD line of sight optimal deployment IPSO RF model

Molecular dynamics simulations on the interactions between nucleic acids and a phospholipid bilayer

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Chinese Physics B 2024年第2期33卷 512-521页

作者：徐耀黄舒伟丁泓铭马余强 National Laboratory of Solid State Microstructures and Department of Physics Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China center for Soft Condensed Matter Physics and interdisciplinary research School of Physical Science and TechnologySoochow UniversitySuzhou 215006China

Recently,lipid nanoparticles(LNPs)have been extensively investigated as non-viral carriers of nucleic acid vaccines due to their high transport efficiency,safety,and straightforward production and scalability.However,the molecular mechanism underlying the interactions between nucleic acids and phospholipid bilayers within LNPs remains elusive.In this study,we employed the all-atom molecular dynamics simulation to investigate the interactions between single-stranded nucleic acids and a phospholipid bilayer.Our findings revealed that hydrophilic bases,specifically G in single-stranded RNA(ssRNA)and single-stranded DNA(ssDNA),displayed a higher propensity to form hydrogen bonds with phospholipid head groups.Notably,ssRNA exhibited stronger binding energy than ssDNA.Furthermore,divalent ions,particularly Ca2+,facilitated the binding of ssRNA to phospholipids due to their higher binding energy and lower dissociation rate from phospholipids.Overall,our study provides valuable insights into the molecular mechanisms underlying nucleic acidphospholipid interactions,with potential implications for the nucleic acids in biotherapies,particularly in the context of lipid carriers.

关键词： RNA DNA lipid bilayer molecular dynamics interface interaction divalent cation

Cascade electrolysis and thermocatalysis: a reliable system for upgrading C1 to C4 hydrocarbons

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Rare Metals 2024年第1期43卷 410-412页

作者： Chao-Yue Sun Wen Li Hai-Qing Wang Institute for Advanced interdisciplinary research(iAIR) College of Chemistry and Chemical EngineeringUniversity of JinanJinan 250022China

The carbon cycle is important for maintaining a stable climate and carbon balance on Earth. Renewable-electricitydriven upcycling of carbon dioxide (CO_(2)) into value-added multi-carbon molecules is a potentially sus... 详细信息

关键词： cycling hydrocarbons enable